PubChemLite - 67939-87-1 (C18H19F22N2O8PS2)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H19F22N2O8PS2/c1-3-41(52(45,46)17(37,38)13(27,28)9(19,20)11(23,24)15(31,32)33)5-7-49-51(43,44)50-8-6-42(4-2)53(47,48)18(39,40)14(29,30)10(21,22)12(25,26)16(34,35)36/h3-8H2,1-2H3,(H,43,44)

InChIKey

RJFPABCSTACHQG-UHFFFAOYSA-N

Compound name

bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethyl] hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	905.00418	246.1
[M+Na]+	926.98612	247.0
[M-H]-	902.98962	262.4
[M+NH4]+	922.03072	263.7
[M+K]+	942.96006	261.3
[M+H-H2O]+	886.99416	226.8
[M+HCOO]-	948.99510	258.2
[M+CH3COO]-	963.01075	283.6
[M+Na-2H]-	924.97157	240.4
[M]+	903.99635	249.9
[M]-	903.99745	249.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

905.00418

246.1

[M+Na]+

926.98612

247.0

[M-H]-

902.98962

262.4

[M+NH4]+

922.03072

263.7

[M+K]+

942.96006

261.3

[M+H-H2O]+

886.99416

226.8

[M+HCOO]-

948.99510

258.2

[M+CH3COO]-

963.01075

283.6

[M+Na-2H]-

924.97157

240.4

[M]+

903.99635

249.9

[M]-

903.99745

249.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

67939-87-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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